SCHEMBL808020

SCHEMBL808020

CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3cccc(OCC(F)(F)F)n3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
DHFR P00374 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL795472 0.85 NPC1 (0.35) GRM5ALDH1A1MAPTDHFRNPC1
SCHEMBL808016 0.85 STAT3 (0.38) SCN9AALDH1A1LMNANPSR1HDAC4
SCHEMBL795542 0.84 SCN9A (0.41) SCN9AALDH1A1NPSR1HDAC4HDAC8
SCHEMBL808028 0.84 S1PR1 (0.40) GRM5HDAC8HDAC6
SCHEMBL794554 0.83 NPC1 (0.34) SCN9AGRM5ALDH1A1LMNANPSR1
SCHEMBL10287786 0.81 SCN9A (0.37) SCN9AGRM5ALDH1A1NPSR1MAPT
SCHEMBL795949 0.80 HDAC4 (0.33) HDAC4
SCHEMBL795513 0.80 DHFR (0.37) GRM5MAPTDHFRNPC1TP53
SCHEMBL795257 0.79 HDAC4 (0.35) DHFRHDAC4HDAC6
SCHEMBL797277 0.79 CASP3 (0.45) SCN9ALMNANPSR1DHFRHDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885GRM5 67/4885ALDH1A1 439/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 SCN9A 1051/4885GRM5 67/4885ALDH1A1 439/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.